(2H10)-o-Xylene

Base Information

• Chemical Name: (2H10)-o-Xylene
• CAS No.: 56004-61-6
• Molecular Formula: C8D10
• Molecular Weight: 116.088
• Hs Code.: 28459000
• European Community (EC) Number: 259-942-8
• DSSTox Substance ID: DTXSID50204576
• Nikkaji Number: J296.541K
• Wikidata: Q83078015
• Mol file: 56004-61-6.mol

Synonyms:o-Xylene-d10;56004-61-6;(2H10)-o-Xylene;1,2,3,4-tetradeuterio-5,6-bis(trideuteriomethyl)benzene;EINECS 259-942-8;MFCD00037698;o-Xylene D10;1,2-Xylene-d10;1,2-Dimethylbenzene-D10 99.5 Atom % D;1,2-Dimethylbenzene-d10;di(?H?)methyl(?H?)benzene;DTXSID50204576;o-Xylene-d10, 99 atom % D;AKOS015888378;D98588;Benzene-1,2,3,4-d4, 5,6-di(methyl-d3)-;A935669

Chemical Property of (2H10)-o-Xylene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 5.99mmHg at 25°C
• Melting Point: -25 °C
• Refractive Index: n20/D 1.5016(lit.)
• Boiling Point: 145.9 °C at 760 mmHg
• Flash Point: 28.9 °C
• PSA: 0.00000
• Density: 0.952 g/cm³
• LogP: 2.30340
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 116.141017778
• Heavy Atom Count: 8
• Complexity: 56.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

O-Xylene-d10 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21-38
• Safety Statements: 23-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H]
• Uses: O-Xylene-d10 is a labeled Xylene, intended for use as an internal standard for the quantification of Xylene by GC- or LC-mass spectrometry.

Technology Process of (2H10)-o-Xylene

There total 4 articles about (2H10)-o-Xylene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C18H6N4(1-)*C8(2)H10(1+) → o-xylene-d10 (56004-61-6) + 2,6,9,10-tetracyanoanthracene (80721-78-4)

Guidance literature:

In acetonitrile; at 25 ℃; Rate constant; isotope effects on the rate of electron transfer;

DOI:10.1021/ja00231a053

Reference yield:

C8(2)H10*C4H4N2 → PYRIMIDINE (289-95-2,25247-63-6) + o-xylene-d10 (56004-61-6)

Guidance literature:

In tetrachloromethane; at 34.9 ℃; Equilibrium constant;

Reference yield:

C8(2)H10*C4H4N2 → 1,4-pyrazine (290-37-9) + o-xylene-d10 (56004-61-6)

Guidance literature:

In tetrachloromethane; at 34.9 ℃; Equilibrium constant;

Downstream raw materials:

trans-1,2-dihydrophthalic-3,4,5,6-d4 acid

<4-2H>-1,2-bis(dibromodeuteriomethyl)benzene

ortho-tolyl-d9 cyanide

ortho-tolyl-d9 bromide